Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA007502
PROPERTIES
| NPAID | NPA007502 |
|---|---|
| CLUSTER ID | 415 |
| NODE ID | 374 |
| NAME | Anabaenopeptin 908 |
| FORMULA | C45H68N10O10 |
| MOLECULAR WEIGHT (Da) | 909.0990 |
| ACCURATE MASS (Da) | 908.5120 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Planktothrix |
| ORIGIN SPECIES | agardhii CYA 126/8 |
| InChIKey | FPSCSFRHCCJLDN-GQGBGXOCSA-N |
| InChI | InChI=1S/C45H68N10O10/c1-6-27(4)37-40(60)48-24-8-7-10-32(51-45(65)52-34(43(63)64)11-9-25-49-44(46)47)38(58)53-36(26(2)3)41(61)50-33(22-16-28-12-18-30(56)19-13-28)42(62)55(5)35(39(59)54-37)23-17-29-14-20-31(57)21-15-29/h12-15,18-21,26-27,32-37,56-57H,6-11,16-17,22-25H2,1-5H3,(H,48,60)(H,50,61)(H,53,58)(H,54,59)(H,63,64)(H4,46,47,49)(H2,51,52,65)/t27-,32+,33-,34-,35?,36-,37?/m0/s1 |
| SMILES | CC[C@H](C)C1C(=O)NCCCC[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N(C(C(=O)N1)CCC2=CC=C(C=C2)O)C)CCC3=CC=C(C=C3)O)C(C)C)NC(=O)N[C@@H](CCCN=C(N)N)C(=O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Okumura, Hilary S; Philmus, Benjamin; Portmann, Cyril; Hemscheidt, Thomas K Homotyrosine-containing cyanopeptolins 880 and 960 and anabaenopeptins 908 and 915 from Planktothrix agardhii CYA 126/8 Journal of Natural Products 2009 72 (1) 172-176. | ||
|---|---|---|---|
| DOI | 10.1021/np800557m | PMID | 19115837 |
